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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
ethyl (9E,12Z)-octadeca-9,12-dienoate
308.50
7.3
0
2
26.3
16
D-Ribulose 1,5-bisphosphate
310.09
-4.8
6
11
210.67
8
(Z)-2-Pentenal
84.12
1
0
1
17.07
2
Ethyl palmitate
284.50
7.8
0
2
26.3
16
5,5'-Oxybis(5-methylene-2-furaldehyde)
234.20
0.9
0
5
69.65
6
(3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone
196.29
3.5
0
2
26.3
3
Sedanonic acid
210.27
2.3
1
3
54.37
5
3-[(3,4-Dihydroxyphenyl)methyl]-6,7-dihydroxychromen-2-one
300.26
2.4
4
6
111.13
2
N8-Acetylspermidine
187.28
-0.8
3
3
67.15
8
1,2-Dimercaptocyclopentane
134.30
1.8
2
2
77.6
0
Heptanenitrile
111.18
2.2
0
1
23.79
4
CDP-ethanolamine
446.24
-7.2
6
12
258.53
9
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-3-phenylprop-2-enoate
271.35
3.4
0
3
29.54
4
Butyrolactone i
424.40
4.4
3
7
113.29
7
Osumudalactome
128.13
0
1
3
46.53
0
2-Amino-4-chlorobenzamide
170.59
0.9
2
2
69.11
1
Methyl 3-(2,4-dihydroxy-5-methoxyphenyl)propanoate
226.23
1.3
2
5
75.99
5
2-Methyl-2-pentenal, (2Z)-
98.14
1.4
0
1
17.07
2
14-Oxoheptacosanoic acid
424.70
9.9
1
3
54.37
25
Dipropyl disulfide
150.30
2.7
0
2
50.6
5
Changrolin
403.50
4.3
2
6
64.52
6
2-Pyrrolidineacetic acid
129.16
-2.4
2
3
49.33
2
4,6-Dihydroxy-5-methoxy-7-methyl-1,3-dihydroisobenzofuran
196.20
0.8
2
4
58.92
1
N-[2-(4-methoxyphenyl)ethyl]-2-methylbut-2-enamide
233.31
2.7
1
2
38.33
5
N(6)-carboxymethyllysine
204.22
-5.2
4
6
112.65
8
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